SCHEMBL3380708

SCHEMBL3380708

O=C(O)CCCCCCC(=O)c1cccnc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.70
HDAC8 Q9BY41 2/20 0.70
HDAC3 O15379 1/20 0.66
HDAC4 P56524 1/20 0.66
HDAC7 Q8WUI4 1/20 0.66
HDAC2 Q92769 1/20 0.66
HDAC10 Q969S8 1/20 0.66
HDAC11 Q96DB2 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
HDAC9 Q9UKV0 1/20 0.66
HDAC5 Q9UQL6 1/20 0.66
TBXAS1 P24557 17/20 0.64
TBXA2R P21731 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3939109 0.95 HDAC1 (0.63) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL2638149 0.88 PLOD2 (0.66) HDAC1HDAC8TBXAS1TBXA2R
SCHEMBL29450185 0.88 PLOD2 (0.66) HDAC1HDAC8TBXAS1TBXA2R
SCHEMBL9549825 0.87 HDAC1 (0.70) HDAC1HDAC8TBXAS1
SCHEMBL551914 0.85 HDAC1 (0.68) HDAC1HDAC8HDAC3HDAC2TBXAS1
SCHEMBL9440256 0.85 HDAC1 (0.68) HDAC1HDAC8HDAC3HDAC2TBXAS1
Azelaic Acid SCHEMBL28673360 0.85 F7 (0.71) TBXAS1TBXA2R
SCHEMBL552045 0.85 HDAC1 (0.68) HDAC1HDAC8HDAC3HDAC2TBXAS1
SCHEMBL14086334 0.85 HDAC1 (0.68) HDAC1HDAC8HDAC3HDAC2TBXAS1
Azelaic Acid SCHEMBL5982892 0.85 F7 (0.71) TBXAS1TBXA2R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280764-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2010-11-24 EP disclosed
US-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 US disclosed
EP-1524262-A1 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2005-04-20 EP disclosed
US-20020115826-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2002-08-22 US disclosed
US-4511573-A THROMBOXANE SYNTHETASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1985-04-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020115826-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC8 9/4885HDAC3 3/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC8 9/4885HDAC3 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.